1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C23H24N4O4S — CID 121068865

About 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121068865) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 121068865
• Molecular Formula: C23H24N4O4S
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.15
• IUPAC Name: 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
• SMILES: COc1ccc(N2CC(C(=O)N3CCCC(c4nnc(-c5cccs5)o4)C3)CC2=O)cc1
• InChI: InChI=1S/C23H24N4O4S/c1-30-18-8-6-17(7-9-18)27-14-16(12-20(27)28)23(29)26-10-2-4-15(13-26)21-24-25-22(31-21)19-5-3-11-32-19/h3,5-9,11,15-16H,2,4,10,12-14H2,1H3
• InChIKey: CNQMNWIPECVYGP-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 88.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 121068865) is 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCCC(c4nnc(-c5cccs5)o4)C3)CC2=O)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is CNQMNWIPECVYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-30-18-8-6-17(7-9-18)27-14-16(12-20(27)28)23(29)26-10-2-4-15(13-26)21-24-25-22(31-21)19-5-3-11-32-19/h3,5-9,11,15-16H,2,4,10,12-14H2,1H3.

What are the key properties of 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?

1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 452.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121068865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).